HRID99710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID254249

2-Chloro-5-(methoxycarbonyl)pyridine

C7H6ClNO2

HCID2734610

2-Cyanophenylboronic acid

C7H6BNO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID67267132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-587c639cc1194e00b2eab62d92d282fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:12](#[N:13])[c:14]1[c:15]([B:20]([OH:21])[OH:22])[cH:16][cH:17][cH:18][cH:19]1.[C:23](=[O:24])([O-:25])[O-:26].[CH2:106]1[O:107][CH2:108][CH2:109][O:110][CH2:111]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[K+:27].[K+:28].[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105]1>>[c:2]1(-[c:15]2[c:14]([C:12]#[N:13])[cH:19][cH:18][cH:17][cH:16]2)[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1